Advanced Materials & Manufacturing – Page 631

Effects of Backbone Disorder on Electronic Transport in DNA Molecules

Zhong J.X., Oak Ridge National Laboratory, US

A minimal model was recently proposed to explain the gap opening and the semi-conductor behavior in poly(G)-poly(C) DNA molecules. In this model, the large band gap is attributed to the hybridization of the G-G p [...]

Current Collapse in Tunnelling Transport through Benzene

Hettler M., Wenzel W., Wegewijs M., Schoeller H., Forschungszentrum Karlsruhe, DE

Single molecule electronic devices offer exciting perspectives for further minituarization of electronic circuits with a potentially large impact in applications. Several experiments have demonstrated the possibility to attach individual molecules to leads and to measure [...]

Effects of Gold Contacts on Transport through Benzene Molecule

Farajian A.A., Belosludov R.V., Mizuseki H., Kawazoe Y., Tohoku University, JP

Miniaturization of electronic devices has resulted in intensive interest in molecular devices that basically consist of a group of a few atoms, in contrast to the previous ‘bulk’ materials. As the molecules that are to [...]

Theoretical Analysis of Donor – Spacer – Acceptor Structure Molecule for Stable Molecular Rectifier

Mizuseki H., Niimura K., Majumder C., Belosludov R.V., Farajia A.A., Kawazoe Y., Institute for Materials Research, Tohoku University, JP

Recently, the field of molecular electronics has attracted strong attention as a post-silicon technology to enable future nanoscale electronic devices. The realization of a molecular device with a unimolecular rectifying function is one of the [...]

Electrical Transport through Single-molecule Junctions: From molecular orbitals to conduction channels

Heurich J., Cuevas J.C., Wenzel W., Schön G., Forschungszentrum Karlsruhe, DE

Present trends in the miniaturization of electronic devices suggest that ultimately single molecules may be used as electronically active elements in a variety of applications. Recent advances in the manipulation of single molecules now permit [...]

Convergence Issues in Ab-initio Transport Calculation through Oxide Barriers and Molecules

Fonseca L.R.C., Demkov A.A., Motorola, Inc., US

Ab-initio calculations of transport through nanometer scale structures, such as individual atoms or molecules and ultra-thin oxide barriers directly link atomic structure and chemistry, which are difficult to probe, to transport properties, which are easier [...]

TranSIESTA: A SPICE for Molecular Electronics

Stokbro K., Taylor J., Brandbyge M., Ordejon P., Technical University of Denmark, DK

With our newly developed method,TranSIESTA[1], it has become possible to model complex molecular electronics devices under operation conditions. In this presentation I will describe the basic principles behind the method and applications of the method [...]

Molecular Wires and Logic Circuits Integration in a Single Molecule?

Joachim C., CEMES-CNRS, FR

Hybrid Molecular electronics (one molecule per device) do not offer good perspectives of miniaturization on the long term. The full integration, at the nanoscale, of a calculator will demand all the power of the quantum [...]

Finite Size Effects In Ferroelectric Nanosystems: Absence of mode softening

Wolpert D., Cox W., Cerne J., Markelz A., Zhao T., Ramesh R., University at Buffalo, US

Ferroelectrics are currently used for DRAM capacitors, nonvolatile memory elements, (FRAM), and switching and routing elements in optical communications systems. Further miniaturization and large scale application of these systems is limited by apparent finite size [...]

An Organic Molecule – Fullerene Mixture for a High Efficiency Photovoltaic Device: Theoretical Study

Mizuseki H., Niimura K., Majumder C., Kawazoe Y., Tohoku University, JP

The current general trend in research and development of photovoltaic elements is aimed at producing lower cost devices. An encouraging breakthrough in the development of highly efficient materials has been achieved by mixing electron-donor type [...]